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guopengzhen金虫 (小有名气)
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【求助】vasp安装编译错误，请大家帮忙看下那里出错了。 已有3人参与
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Sample Text在 单机四核，(64位)ubuntu10.0，vasp4.6，非商业版本l_fcompxe_2011.2.137, l_mkl_10.3.1.107_intel64.tgz ifort和MKL安装都没问题，vasp4.lib也能顺利编译安装，生成了libdmy.a，安装vasp.4.6的时候都出现了下列问题，请高手指点 错误摘录如下：root@gpz-desktop:/home/VASP/vasp.4.6# make -f makefile.linux_ifc_P4 ./preprocess ifort -FR -lowercase -O1 -tpp7 -xW -prefetch- -prev_div -unroll0 -e95 -vec_report3 -c fft3dlib.f90 ifort: command line remark #10010: option '-lowercase' is deprecated and will be removed in a future release. See '-help deprecated' ifort: command line remark #10148: option '-tpp7' not supported ifort: command line remark #10279: option '-xW' is deprecated and will be removed in a future release. See '-help deprecated' ifort: command line remark #10148: option '-prefetch-' not supported ifort: command line warning #10156: ignoring option '-p'; no argument required fft3dlib.f90(140): error #8226: The variable typing occurred after the DATA statement and changed its implicit typing. [IWOFF] SAVE IWOFF,MAXOLD -----------^ fft3dlib.f90(140): error #8226: The variable typing occurred after the DATA statement and changed its implicit typing. [MAXOLD] SAVE IWOFF,MAXOLD -----------------^ fft3dlib.f90(1106): error #8226: The variable typing occurred after the DATA statement and changed its implicit typing. [IWOFF] SAVE IWOFF,MAXOLD -----------^ fft3dlib.f90(1106): error #8226: The variable typing occurred after the DATA statement and changed its implicit typing. [MAXOLD] SAVE IWOFF,MAXOLD -----------------^ fft3dlib.f90(1621): error #6033: Sharing of a DO termination statement by more than one DO statement is an obsolescent feature in Fortran 95. Use an END DO or CONTINUE statement for each DO statement. [20] 20 CONTINUE ---^ fft3dlib.f90(1698): error #7342: The computed GOTO statement is an obsolescent feature in Fortran 95. GOTO (10,50,90,130,170,210,250),IGO ------^ fft3dlib.f90(1713): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(1741): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(1774): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(1807): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(1852): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(1890): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(1943): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(1994): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2071): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2135): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2220): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2311): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2462): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2544): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2619): error #7342: The computed GOTO statement is an obsolescent feature in Fortran 95. GOTO (10,50,90,130,170,210,250),IGO ------^ fft3dlib.f90(2634): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2662): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2695): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2728): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2773): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2811): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2864): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2915): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2992): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(3487): catastrophic error: Too many errors, exiting compilation aborted for fft3dlib.f90 (code 1) make: *** [fft3dlib.o] Error 1 ks：找不到命令 |
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lonewolf659
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2楼2011-03-06 03:08:24
guopengzhen
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去掉以后好像也不行，下面是改以后出现的情况，本人是菜鸟，还望多多指点。
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./preprocess ifort -FR -lowercase -O1 -tpp7 -xW -prefetch- -prev_div -unroll0 -vec_report3 -c fft3dlib.f90 ifort: command line remark #10010: option '-lowercase' is deprecated and will be removed in a future release. See '-help deprecated' ifort: command line remark #10148: option '-tpp7' not supported ifort: command line remark #10279: option '-xW' is deprecated and will be removed in a future release. See '-help deprecated' ifort: command line remark #10148: option '-prefetch-' not supported ifort: command line warning #10156: ignoring option '-p'; no argument required ./preprocess ifort -I/opt/intel/mkl/include/fftw -FR -lower_case -FR -O0 -c main.f90 main.f90(3009): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 7281 FORMAT(I4,' F= ',E14.8,' E0= ',E14.8,1X,' d E =',E12.6) ------------------------^ main.f90(3009): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 7281 FORMAT(I4,' F= ',E14.8,' E0= ',E14.8,1X,' d E =',E12.6) --------------------------------------^ main.f90(3009): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 7281 FORMAT(I4,' F= ',E14.8,' E0= ',E14.8,1X,' d E =',E12.6) --------------------------------------------------------^ main.f90(2888): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 7280 FORMAT(I4,' T= ',F6.0,' E= ',E14.8, & ------------------------------------^ main.f90(2889): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & ' F= ',E14.8,' E0= ',E14.8,1X,' EK= ',E11.5, & -----------------^ main.f90(2889): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & ' F= ',E14.8,' E0= ',E14.8,1X,' EK= ',E11.5, & -------------------------------^ main.f90(2889): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & ' F= ',E14.8,' E0= ',E14.8,1X,' EK= ',E11.5, & ------------------------------------------------^ main.f90(2890): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & ' SP= ',E8.2,' SK= ',E8.2) ------------------^ main.f90(2890): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & ' SP= ',E8.2,' SK= ',E8.2) -------------------------------^ main.f90(2792): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 72812 FORMAT(I4,' F(METAGGA)= ',E14.8,' E0(METAGGA)= ',E14.8) ---------------------------------^ main.f90(2792): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 72812 FORMAT(I4,' F(METAGGA)= ',E14.8,' E0(METAGGA)= ',E14.8) --------------------------------------------------------^ main.f90(2791): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 72811 FORMAT(I4,' F(ASPHER.)= ',E14.8,' E0(ASPHER.)= ',E14.8) ---------------------------------^ main.f90(2791): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 72811 FORMAT(I4,' F(ASPHER.)= ',E14.8,' E0(ASPHER.)= ',E14.8) --------------------------------------------------------^ main.f90(2676): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & 3(2X,3(1X,E9.3))) ---------------------^ main.f90(2670): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & 4(2X,3(1X,E9.3)) ) -----------------------^ main.f90(2663): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & 4(2X,3(1X,E9.3))) ---------------------------^ main.f90(1146): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'. & ' WEIMIN = ',F6.4,' energy-eigenvalue tresh-hold'/ & -----------------------------^ main.f90(1089): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & ' EDIFFG = ',E7.1,' stopping-criterion for IOM'/ & -----------------------------^ main.f90(1078): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & ' EDIFF = ',E7.1,' stopping-criterion for ELM'/ & -----------------------------^ rm -f vasp ifort -o vasp main.o base.o mpi.o smart_allocate.o xml.o constant.o jacobi.o main_mpi.o scala.o asa.o lattice.o poscar.o ini.o setex.o radial.o pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o symmetry.o symlib.o lattlib.o random.o nonl.o nonlr.o dfast.o choleski2.o mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o tet.o hamil.o steep.o chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o ebs.o wavpre.o wavpre_noio.o broyden.o dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o brent.o stufak.o fileio.o opergrid.o stepver.o dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o edtest.o electron.o shm.o pardens.o paircorrection.o optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o setlocalpp.o fftw3d.o fft3dlib.o /opt/intel/mkl/lib/intel64/libfftw3xf_gcc.a -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o ../vasp.4.lib/lapack_double.o /opt/libs/libgoto/libgoto_p4_512-r0.6.so ifort: error #10236: File not found: '/opt/libs/libgoto/libgoto_p4_512-r0.6.so' make: *** [vasp] 错误 1 |
3楼2011-03-06 08:33:26
lonewolf659
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★ ★ ★
小木虫(金币+0.5):给个红包，谢谢回帖交流
zhang668(金币+2): 多谢提示 2011-03-06 11:27:11
小木虫(金币+0.5):给个红包，谢谢回帖交流
zhang668(金币+2): 多谢提示 2011-03-06 11:27:11
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呵呵。看来去掉还是管用的 这次你的错误变了。 是因为vasp编译要用到BLAS库，你指定了用gotoblas，但是在Makefile中按照你指定的路径没有这个库。 ifort: error #10236: File not found: '/opt/libs/libgoto/libgoto_p4_512-r0.6.so' 你修改你的Makefile文件，将BALS的路径指定对了就行。 你google一下吧，MKL编译vasp时的makefile，里面会有说明的。 |
4楼2011-03-06 08:45:03
guopengzhen
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请教下，现在编译时出现以下错误，是什么原因
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makefile_linux_ifc_P4文件原文： .SUFFIXES: .inc .f .f90 .F #----------------------------------------------------------------------- # Makefile for Intel Fortran compiler for P4 systems # # The makefile was tested only under Linux on Intel platforms # (Suse 5.3- Suse 9.0) # the followin compiler versions have been tested # 5.0, 6.0, 7.0 and 7.1 (some 8.0 versions seem to fail compiling the code) # presently we recommend version 7.1 or 7.0, since these # releases have been used to compile the present code versions # # it might be required to change some of library pathes, since # LINUX installation vary a lot # Hence check ***ALL**** options in this makefile very carefully #----------------------------------------------------------------------- # # BLAS must be installed on the machine # there are several options: # 1) very slow but works: # retrieve the lapackage from ftp.netlib.org # and compile the blas routines (BLAS/SRC directory) # please use g77 or f77 for the compilation. When I tried to # use pgf77 or pgf90 for BLAS, VASP hang up when calling # ZHEEV (however this was with lapack 1.1 now I use lapack 2.0) # 2) most desirable: get an optimized BLAS # # the two most reliable packages around are presently: # 3a) Intels own optimised BLAS (PIII, P4, Itanium) # http://developer.intel.com/software/products/mkl/ # this is really excellent when you use Intel CPU's # # 3b) or obtain the atlas based BLAS routines # http://math-atlas.sourceforge.net/ # you certainly need atlas on the Athlon, since the mkl # routines are not optimal on the Athlon. # If you want to use atlas based BLAS, check the lines around LIB= # # 3c) mindblowing fast SSE2 (4 GFlops on P4, 2.53 GHz) # Kazushige Goto's BLAS # http://www.cs.utexas.edu/users/kgoto/signup_first.html # #----------------------------------------------------------------------- # all CPP processed fortran files have the extension .f90 SUFFIX=.f90 #----------------------------------------------------------------------- # fortran compiler and linker #----------------------------------------------------------------------- FC=ifort # fortran linker FCL=$(FC) #----------------------------------------------------------------------- # whereis CPP ?? (I need CPP, can't use gcc with proper options) # that's the location of gcc for SUSE 5.3 # # CPP_ = /usr/lib/gcc-lib/i486-linux/2.7.2/cpp -P -C # # that's probably the right line for some Red Hat distribution: # # CPP_ = /usr/lib/gcc-lib/i386-redhat-linux/2.7.2.3/cpp -P -C # # SUSE X.X, maybe some Red Hat distributions: CPP_ = ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX) #----------------------------------------------------------------------- # possible options for CPP: # NGXhalf charge density reduced in X direction # wNGXhalf gamma point only reduced in X direction # avoidalloc avoid ALLOCATE if possible # IFC work around some IFC bugs # CACHE_SIZE 1000 for PII,PIII, 5000 for Athlon, 8000-12000 P4 # RPROMU_DGEMV use DGEMV instead of DGEMM in RPRO (depends on used BLAS) # RACCMU_DGEMV use DGEMV instead of DGEMM in RACC (depends on used BLAS) #----------------------------------------------------------------------- CPP = $(CPP_) -DHOST=\"LinuxIFC\" \ -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc \ # -DRPROMU_DGEMV -DRACCMU_DGEMV #----------------------------------------------------------------------- # general fortran flags (there must a trailing blank on this line) #----------------------------------------------------------------------- FFLAGS = -I/opt/intel/mkl/include/fftw -FR -lowercase -assume byterecl #----------------------------------------------------------------------- # optimization # we have tested whether higher optimisation improves performance # -axK SSE1 optimization, but also generate code executable on all mach. # xK improves performance somewhat on XP, and a is required in order # to run the code on older Athlons as well # -xW SSE2 optimization # -axW SSE2 optimization, but also generate code executable on all mach. # -tpp6 P3 optimization # -tpp7 P4 optimization #----------------------------------------------------------------------- OFLAG=-O3 -xW OFLAG_HIGH = $(OFLAG) OBJ_HIGH = OBJ_NOOPT = DEBUG = -FR -O0 INLINE = $(OFLAG) #----------------------------------------------------------------------- # the following lines specify the position of BLAS and LAPACK # on P4, VASP works fastest with the libgoto library # so that's what I recommend #----------------------------------------------------------------------- # Atlas based libraries #ATLASHOME= $(HOME)/opt/intel/mkl #BLAS= -L$(ATLASHOME) -lf77blas -latlas # use specific libraries (default library path might point to other libraries) #BLAS= $(ATLASHOME)/libf77blas.a $(ATLASHOME)/libatlas.a # use the mkl Intel libraries for p4 (www.intel.com) # mkl.10.3 # set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines #BLAS=-L/opt/intel/mkl/lib/intel64 -lmkl_p4 -lmkl_sequential -lpthread # LAPACK, simplest use vasp.4.lib/lapack_double LAPACK= ../vasp.4.lib/lapack_double.o # use atlas optimized part of lapack #LAPACK= ../vasp.4.lib/lapack_atlas.o -llapack -lcblas # use the mkl Intel lapack #LAPACK= -L/opt/intel/mkl/lib/intel64 -lmkl_lapack #----------------------------------------------------------------------- LIB = -L../vasp.4.lib -ldmy \ ../vasp.4.lib/linpack_double.o $(LAPACK) \ $(BLAS) # options for linking (for compiler version 6.X, 7.1) nothing is required LINK = # compiler version 7.0 generates some vector statments which are located # in the svml library, add the LIBPATH and the library (just in case) #LINK = -L/opt/intel/compiler70/ia32/lib/ -lsvml #----------------------------------------------------------------------- # fft libraries: # VASP.4.6 can use fftw.3.0.X (http://www.fftw.org) # since this version is faster on P4 machines, we recommend to use it #----------------------------------------------------------------------- #FFT3D = fft3dfurth.o fft3dlib.o FFT3D = fftw3d.o fft3dlib.o /opt/intel/mkl/lib/intel64/libfftw3xf_gcc.a #======================================================================= # MPI section, uncomment the following lines # # one comment for users of mpich or lam: # You must *not* compile mpi with g77/f77, because f77/g77 # appends *two* underscores to symbols that contain already an # underscore (i.e. MPI_SEND becomes mpi_send__). The pgf90/ifc # compilers however append only one underscore. # Precompiled mpi version will also not work !!! # # We found that mpich.1.2.1 and lam-6.5.X to lam-7.0.4 are stable # mpich.1.2.1 was configured with # ./configure -prefix=/usr/local/mpich_nodvdbg -fc="pgf77 -Mx,119,0x200000" \ # -f90="pgf90 " \ # --without-romio --without-mpe -opt=-O \ # # lam was configured with the line # ./configure -prefix /opt/libs/lam-7.0.4 --with-cflags=-O -with-fc=ifc \ # --with-f77flags=-O --without-romio # # please note that you might be able to use a lam or mpich version # compiled with f77/g77, but then you need to add the following # options: -Msecond_underscore (compilation) and -g77libs (linking) # # !!! Please do not send me any queries on how to install MPI, I will # certainly not answer them !!!! #======================================================================= #----------------------------------------------------------------------- # fortran linker for mpi: if you use LAM and compiled it with the options # suggested above, you can use the following line #----------------------------------------------------------------------- #FC=mpif90 #FCL=$(FC) #----------------------------------------------------------------------- # additional options for CPP in parallel version (see also above): # NGZhalf charge density reduced in Z direction # wNGZhalf gamma point only reduced in Z direction # scaLAPACK use scaLAPACK (usually slower on 100 Mbit Net) #----------------------------------------------------------------------- #CPP = $(CPP_) -DMPI -DHOST=\"LinuxIFC\" -DIFC \ # -Dkind8 -DNGZhalf -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc \ # -DMPI_BLOCK=500 \ ## -DRPROMU_DGEMV -DRACCMU_DGEMV #----------------------------------------------------------------------- # location of SCALAPACK # if you do not use SCALAPACK simply uncomment the line SCA #----------------------------------------------------------------------- BLACS=$(HOME)/archives/SCALAPACK/BLACS/ SCA_=$(HOME)/archives/SCALAPACK/SCALAPACK SCA= $(SCA_)/libscalapack.a \ $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a $(BLACS)/LIB/blacs_MPI-LINUX-0.a $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a SCA= #----------------------------------------------------------------------- # libraries for mpi #----------------------------------------------------------------------- #LIB = -L../vasp.4.lib -ldmy \ # ../vasp.4.lib/linpack_double.o \ -L/opt/intel/mkl/lib/intel64 \ # /opt/intel/mkl/lib/intel64/libmkl_scalapack_lp64.a /opt/intel/mkl/lib/intel64/libmkl_blacs_int \ $(BLAS) # FFT: fftmpi.o with fft3dlib of Juergen Furthmueller # fftw.3.0.1 is slighly faster and should be used if available #FFT3D = fftmpiw.o fftmpi_map.o fft3dlib.o /opt/intel/mkl/lib/intel64/libfftw3xf_gcc.a #----------------------------------------------------------------------- # general rules and compile lines #----------------------------------------------------------------------- BASIC= symmetry.o symlib.o lattlib.o random.o SOURCE= base.o mpi.o smart_allocate.o xml.o \ constant.o jacobi.o main_mpi.o scala.o \ asa.o lattice.o poscar.o ini.o setex.o radial.o \ pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o $(BASIC) \ nonl.o nonlr.o dfast.o choleski2.o \ mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o \ metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o \ tet.o hamil.o steep.o \ chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o \ ebs.o wavpre.o wavpre_noio.o broyden.o \ dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o \ brent.o stufak.o fileio.o opergrid.o stepver.o \ dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o \ edtest.o electron.o shm.o pardens.o paircorrection.o \ optics.o constr_cell_relax.o stm.o finite_diff.o \ elpol.o setlocalpp.o INC= vasp: $(SOURCE) $(FFT3D) $(INC) main.o rm -f vasp $(FCL) -o vasp $(LINK) main.o $(SOURCE) $(FFT3D) $(LIB) makeparam: $(SOURCE) $(FFT3D) makeparam.o main.F $(INC) $(FCL) -o makeparam $(LINK) makeparam.o $(SOURCE) $(FFT3D) $(LIB) zgemmtest: zgemmtest.o base.o random.o $(INC) $(FCL) -o zgemmtest $(LINK) zgemmtest.o random.o base.o $(LIB) dgemmtest: dgemmtest.o base.o random.o $(INC) $(FCL) -o dgemmtest $(LINK) dgemmtest.o random.o base.o $(LIB) ffttest: base.o smart_allocate.o mpi.o mgrid.o random.o ffttest.o $(FFT3D) $(INC) $(FCL) -o ffttest $(LINK) ffttest.o mpi.o mgrid.o random.o smart_allocate.o base.o $(FFT3D) $(LIB) kpoints: $(SOURCE) $(FFT3D) makekpoints.o main.F $(INC) $(FCL) -o kpoints $(LINK) makekpoints.o $(SOURCE) $(FFT3D) $(LIB) clean: -rm -f *.g *.f *.o *.L *.mod ; touch *.F main.o: main$(SUFFIX) $(FC) $(FFLAGS)$(DEBUG) $(INCS) -c main$(SUFFIX) xcgrad.o: xcgrad$(SUFFIX) $(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcgrad$(SUFFIX) xcspin.o: xcspin$(SUFFIX) $(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcspin$(SUFFIX) makeparam.o: makeparam$(SUFFIX) $(FC) $(FFLAGS)$(DEBUG) $(INCS) -c makeparam$(SUFFIX) makeparam$(SUFFIX): makeparam.F main.F # # MIND: I do not have a full dependency list for the include # and MODULES: here are only the minimal basic dependencies # if one strucuture is changed then touch_dep must be called # with the corresponding name of the structure # base.o: base.inc base.F mgrid.o: mgrid.inc mgrid.F constant.o: constant.inc constant.F lattice.o: lattice.inc lattice.F setex.o: setexm.inc setex.F pseudo.o: pseudo.inc pseudo.F poscar.o: poscar.inc poscar.F mkpoints.o: mkpoints.inc mkpoints.F wave.o: wave.inc wave.F nonl.o: nonl.inc nonl.F nonlr.o: nonlr.inc nonlr.F $(OBJ_HIGH): $(CPP) $(FC) $(FFLAGS) $(OFLAG_HIGH) $(INCS) -c $*$(SUFFIX) $(OBJ_NOOPT): $(CPP) $(FC) $(FFLAGS) $(INCS) -c $*$(SUFFIX) fft3dlib_f77.o: fft3dlib_f77.F $(CPP) $(F77) $(FFLAGS_F77) -c $*$(SUFFIX) .F.o: $(CPP) $(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX) .F$(SUFFIX): $(CPP) $(SUFFIX).o: $(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX) # special rules #----------------------------------------------------------------------- # these special rules are cummulative (that is once failed # in one compiler version, stays in the list forever) # -tpp5|6|7 P, PII-PIII, PIV # -xW use SIMD (does not pay of on PII, since fft3d uses double prec) # all other options do no affect the code performance since -O1 is used #----------------------------------------------------------------------- fft3dlib.o : fft3dlib.F $(CPP) $(FC) -FR -lowercase -O1 -tpp7 -xW -prefetch- -unroll0 -e95 -vec_report3 -c $*$(SUFFIX) fft3dfurth.o : fft3dfurth.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) radial.o : radial.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) symlib.o : symlib.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) symmetry.o : symmetry.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) dynbr.o : dynbr.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) broyden.o : broyden.F $(CPP) $(FC) -FR -lowercase -O2 -c $*$(SUFFIX) us.o : us.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) wave.o : wave.F $(CPP) $(FC) -FR -lowercase -O0 -c $*$(SUFFIX) LDApU.o : LDApU.F $(CPP) $(FC) -FR -lowercase -O2 -c $*$(SUFFIX) Sample Text 编译时出现以下错误： fftw_version.c:(.text+0x121): undefined reference to `DftiFreeDescriptor' /opt/intel/mkl/lib/intel64/libfftw3xf_gcc.a(fftw_free.o): In function `fftw_free': fftw_free.c:(.text+0x14): undefined reference to `MKL_free' /opt/intel/mkl/lib/intel64/libfftw3xf_gcc.a(fftw_malloc.o): In function `fftw_malloc': fftw_malloc.c:(.text+0x1c): undefined reference to `MKL_malloc' /opt/intel/mkl/lib/intel64/libfftw3xf_gcc.a(fftw_plan_guru64_dft.o): In function `fftw_plan_guru64_dft': fftw_plan_guru64_dft.c:(.text+0x1fe): undefined reference to `DftiCreateDescriptor_d_1d' fftw_plan_guru64_dft.c:(.text+0x22c): undefined reference to `DftiCreateDescriptor_d_md' fftw_plan_guru64_dft.c:(.text+0x25c): undefined reference to `DftiCreateDescriptor_d_1d' fftw_plan_guru64_dft.c:(.text+0x28a): undefined reference to `DftiCreateDescriptor_d_md' fftw_plan_guru64_dft.c:(.text+0x2a6): undefined reference to `DftiErrorClass' fftw_plan_guru64_dft.c:(.text+0x2d8): undefined reference to `DftiSetValue' fftw_plan_guru64_dft.c:(.text+0x2f4): undefined reference to `DftiErrorClass' fftw_plan_guru64_dft.c:(.text+0x31e): undefined reference to `DftiSetValue' fftw_plan_guru64_dft.c:(.text+0x33a): undefined reference to `DftiErrorClass' fftw_plan_guru64_dft.c:(.text+0x494): undefined reference to `DftiSetValue' fftw_plan_guru64_dft.c:(.text+0x4b0): undefined reference to `DftiErrorClass' fftw_plan_guru64_dft.c:(.text+0x4da): undefined reference to `DftiSetValue' fftw_plan_guru64_dft.c:(.text+0x4f6): undefined reference to `DftiErrorClass' fftw_plan_guru64_dft.c:(.text+0x594): undefined reference to `DftiSetValue' fftw_plan_guru64_dft.c:(.text+0x5b0): undefined reference to `DftiErrorClass' fftw_plan_guru64_dft.c:(.text+0x5d7): undefined reference to `DftiSetValue' fftw_plan_guru64_dft.c:(.text+0x5f3): undefined reference to `DftiErrorClass' fftw_plan_guru64_dft.c:(.text+0x61a): undefined reference to `DftiSetValue' fftw_plan_guru64_dft.c:(.text+0x636): undefined reference to `DftiErrorClass' fftw_plan_guru64_dft.c:(.text+0x66d): undefined reference to `DftiSetValue' fftw_plan_guru64_dft.c:(.text+0x689): undefined reference to `DftiErrorClass' fftw_plan_guru64_dft.c:(.text+0x69c): undefined reference to `MKL_Domain_Get_Max_Threads' fftw_plan_guru64_dft.c:(.text+0x6bc): undefined reference to `MKL_Domain_Set_Num_Threads' fftw_plan_guru64_dft.c:(.text+0x6cc): undefined reference to `DftiCommitDescriptor' fftw_plan_guru64_dft.c:(.text+0x6ea): undefined reference to `MKL_Domain_Set_Num_Threads' fftw_plan_guru64_dft.c:(.text+0x702): undefined reference to `DftiErrorClass' /opt/intel/mkl/lib/intel64/libfftw3xf_gcc.a(fftw_plan_guru64_dft.o): In function `execute_fi': fftw_plan_guru64_dft.c:(.text+0x78c): undefined reference to `DftiComputeForward' /opt/intel/mkl/lib/intel64/libfftw3xf_gcc.a(fftw_plan_guru64_dft.o): In function `execute_bi': fftw_plan_guru64_dft.c:(.text+0x7ba): undefined reference to `DftiComputeBackward' /opt/intel/mkl/lib/intel64/libfftw3xf_gcc.a(fftw_plan_guru64_dft.o): In function `execute_fo': fftw_plan_guru64_dft.c:(.text+0x7f0): undefined reference to `DftiComputeForward' /opt/intel/mkl/lib/intel64/libfftw3xf_gcc.a(fftw_plan_guru64_dft.o): In function `execute_bo': fftw_plan_guru64_dft.c:(.text+0x826): undefined reference to `DftiComputeBackward' ../vasp.4.lib/linpack_double.o: In function `zgefa_': linpack_double.f:(.text+0xe2): undefined reference to `izamax_' linpack_double.f:(.text+0x765): undefined reference to `zscal_' linpack_double.f:(.text+0xaff): undefined reference to `zaxpy_' ../vasp.4.lib/linpack_double.o: In function `zgeco_': linpack.text+0x1cd0): undefined reference to `zdscal_' linpack_double.f:(.text+0x3158): undefined reference to `dzasum_' linpack_double.f:(.text+0x31ac): undefined reference to `zdscal_' linpack_double.f:(.text+0x32d6): undefined reference to `zdotc_' linpack_double.f:(._double.f:(.text+0xe0c): undefined reference to `dzasum_' linpack_double.f:(text+0x36c6): undefined reference to `zdscal_' linpack_double.f:(.text+0x3855): undefined reference to `dzasum_' linpack_double.f:(.text+0x38a9): undefined reference to `zdscal_' linpack_double.f:(.text+0x3b1b): undefined reference to `zaxpy_' linpack_double.f:(.text+0x3e77): undefined reference to `zdscal_' linpack_double.f:(.text+0x3ed2): undefined reference to `dzasum_' linpack_double.f:(.text+0x3f26): undefined reference to `zdscal_' linpack_double.f:(.text+0x465a): undefined reference to `zdscal_' linpack_double.f:(.text+0x4dd3): undefined reference to `zaxpy_' linpack_double.f:(.text+0x4e12): undefined reference to `dzasum_' linpack_double.f:(.text+0x4e66): undefined reference to `zdscal_' ../vasp.4.lib/linpack_double.o: In function `zgedi_': linpack_double.f:(.text+0x5cf2): undefined reference to `zscal_' linpack_double.f:(.text+0x5f5d): undefined reference to `zaxpy_' linpack_double.f:(.text+0x62e9): undefined reference to `zaxpy_' linpack_double.f:(.text+0x63fc): undefined reference to `zswap_' ../vasp.4.lib/lapack_double.o: In function `zlarf_': lapack_double.f:(.text+0x233): undefined reference to `zgemv_' lapack_double.f:(.text+0x2ef): undefined reference to `zgerc_' lapack_double.f:(.text+0x3c8): undefined reference to `zgemv_' lapack_double.f:(.text+0x483): undefined reference to `zgerc_' ../vasp.4.lib/lapack_double.o: In function `dlarf_': lapack_double.f:(.text+0x72e): undefined reference to `dgemv_' lapack_double.f:(.text+0x7b1): undefined reference to `dger_' lapack_double.f:(.text+0x855): undefined reference to `dgemv_' lapack_double.f:(.text+0x8d7): undefined reference to `dger_' ../vasp.4.lib/lapack_double.o: In function `zlarfg_': lapack_double.f:(.text+0x97a): undefined reference to `dznrm2_' lapack_double.f:(.text+0xb5f): undefined reference to `zdscal_' lapack_double.f:(.text+0xbf2): undefined reference to `dznrm2_' lapack_double.f:(.text+0xe1f): undefined reference to `zscal_' swap_' make: *** [vasp] 错误 1 |
5楼2011-03-07 19:18:32
6楼2012-05-10 21:56:06
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7楼2012-05-10 22:04:12